(3R,4S)-1-(4-methoxypiperidin-1-yl)sulfonyl-4-(5-methylfuran-2-yl)pyrrolidin-3-amine

C15H25N3O4S — CID 72885506

IUPAC(3R,4S)-1-(4-methoxypiperidin-1-yl)sulfonyl-4-(5-methylfuran-2-yl)pyrrolidin-3-amine
SMILESCOC1CCN(S(=O)(=O)N2C[C@H](c3ccc(C)o3)[C@@H](N)C2)CC1
InChIInChI=1S/C15H25N3O4S/c1-11-3-4-15(22-11)13-9-18(10-14(13)16)23(19,20)17-7-5-12(21-2)6-8-17/h3-4,12-14H,5-10,16H2,1-2H3/t13-,14-/m0/s1
InChIKeyMRWNXAHWQVVVKA-KBPBESRZSA-N
MW343.45 g/mol
LogP0.67
Rot. Bonds4

About (3R,4S)-1-(4-methoxypiperidin-1-yl)sulfonyl-4-(5-methylfuran-2-yl)pyrrolidin-3-amine

(3R,4S)-1-(4-methoxypiperidin-1-yl)sulfonyl-4-(5-methylfuran-2-yl)pyrrolidin-3-amine (PubChem CID 72885506) has the molecular formula C15H25N3O4S and a molecular weight of 343.45 g/mol. Its IUPAC name is (3R,4S)-1-(4-methoxypiperidin-1-yl)sulfonyl-4-(5-methylfuran-2-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4S)-1-(4-methoxypiperidin-1-yl)sulfonyl-4-(5-methylfuran-2-yl)pyrrolidin-3-amine
PubChem CID72885506
Molecular FormulaC15H25N3O4S
Molecular Weight343.45 g/mol
Exact Mass343.16
IUPAC Name(3R,4S)-1-(4-methoxypiperidin-1-yl)sulfonyl-4-(5-methylfuran-2-yl)pyrrolidin-3-amine
SMILESCOC1CCN(S(=O)(=O)N2C[C@H](c3ccc(C)o3)[C@@H](N)C2)CC1
InChIInChI=1S/C15H25N3O4S/c1-11-3-4-15(22-11)13-9-18(10-14(13)16)23(19,20)17-7-5-12(21-2)6-8-17/h3-4,12-14H,5-10,16H2,1-2H3/t13-,14-/m0/s1
InChIKeyMRWNXAHWQVVVKA-KBPBESRZSA-N
XLogP0.67
TPSA89.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(furan-2-yl)propan-2-yl]piperidine-1-sulfonamide
CID 42958060
N-[1-(furan-2-yl)propan-2-yl]-4-methylpiperidine-1-sulfonamide
CID 45814024
N-{(3S*,4R*)-1-[3-(2-furyl)propanoyl]-4-propyl-3-pyrrolidinyl}methanesulfonamide
CID 70772487
(3S*,4R*)-3-(acetylamino)-N-ethyl-4-(5-methyl-2-furyl)-1-pyrrolidinecarboxamide
CID 70778148
1-[(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-methylsulfanylethanone
CID 72842256
3-methoxy-N-[rel-(3R,4S)-1-[(2E)-2-methyl-2-buten-1-yl]-4-(5-methyl-2-furyl)-3-pyrrolidinyl]propanamide hydrochloride
CID 72858248
N-[(3R*,4S*)-1-(2-hydroxyethyl)-4-(5-methyl-2-furyl)-3-pyrrolidinyl]-2-(2-oxo-1-piperidinyl)acetamide
CID 72863207
[(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-cyclobutylmethanone
CID 72864774
N-[(3R*,4S*)-1-acetyl-4-(5-methyl-2-furyl)-3-pyrrolidinyl]-4-morpholinesulfonamide
CID 72881633
N-[(3R*,4S*)-1-acetyl-4-(5-methyl-2-furyl)-3-pyrrolidinyl]-1-pyrrolidinesulfonamide
CID 72908341
N-[rel-(3R,4S)-1-isopropyl-4-(5-methyl-2-furyl)-3-pyrrolidinyl]-4-morpholinesulfonamide hydrochloride
CID 72929865
1-[(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-cyclobutylethanone
CID 72937422

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-(4-methoxypiperidin-1-yl)sulfonyl-4-(5-methylfuran-2-yl)pyrrolidin-3-amine?
The IUPAC name of (3R,4S)-1-(4-methoxypiperidin-1-yl)sulfonyl-4-(5-methylfuran-2-yl)pyrrolidin-3-amine (CID 72885506) is (3R,4S)-1-(4-methoxypiperidin-1-yl)sulfonyl-4-(5-methylfuran-2-yl)pyrrolidin-3-amine.
What is the SMILES notation for (3R,4S)-1-(4-methoxypiperidin-1-yl)sulfonyl-4-(5-methylfuran-2-yl)pyrrolidin-3-amine?
The canonical SMILES for (3R,4S)-1-(4-methoxypiperidin-1-yl)sulfonyl-4-(5-methylfuran-2-yl)pyrrolidin-3-amine is COC1CCN(S(=O)(=O)N2C[C@H](c3ccc(C)o3)[C@@H](N)C2)CC1.
What is the InChIKey of (3R,4S)-1-(4-methoxypiperidin-1-yl)sulfonyl-4-(5-methylfuran-2-yl)pyrrolidin-3-amine?
The InChIKey is MRWNXAHWQVVVKA-KBPBESRZSA-N. The full InChI is InChI=1S/C15H25N3O4S/c1-11-3-4-15(22-11)13-9-18(10-14(13)16)23(19,20)17-7-5-12(21-2)6-8-17/h3-4,12-14H,5-10,16H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of (3R,4S)-1-(4-methoxypiperidin-1-yl)sulfonyl-4-(5-methylfuran-2-yl)pyrrolidin-3-amine?
(3R,4S)-1-(4-methoxypiperidin-1-yl)sulfonyl-4-(5-methylfuran-2-yl)pyrrolidin-3-amine has a molecular weight of 343.45 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-(4-methoxypiperidin-1-yl)sulfonyl-4-(5-methylfuran-2-yl)pyrrolidin-3-amine is sourced from PubChem (CID 72885506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).