1-(3-aminopropylsulfonyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol

C10H23N3O3S — CID 66054631

IUPAC1-(3-aminopropylsulfonyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1S(=O)(=O)CCCN
InChIInChI=1S/C10H23N3O3S/c1-12(2)7-9-6-10(14)8-13(9)17(15,16)5-3-4-11/h9-10,14H,3-8,11H2,1-2H3
InChIKeyIKYMYVGQXVHDPY-UHFFFAOYSA-N
MW265.38 g/mol
LogP-1.34
Rot. Bonds6

About 1-(3-aminopropylsulfonyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol

1-(3-aminopropylsulfonyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol (PubChem CID 66054631) has the molecular formula C10H23N3O3S and a molecular weight of 265.38 g/mol. Its IUPAC name is 1-(3-aminopropylsulfonyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(3-aminopropylsulfonyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
PubChem CID66054631
Molecular FormulaC10H23N3O3S
Molecular Weight265.38 g/mol
Exact Mass265.15
IUPAC Name1-(3-aminopropylsulfonyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1S(=O)(=O)CCCN
InChIInChI=1S/C10H23N3O3S/c1-12(2)7-9-6-10(14)8-13(9)17(15,16)5-3-4-11/h9-10,14H,3-8,11H2,1-2H3
InChIKeyIKYMYVGQXVHDPY-UHFFFAOYSA-N
XLogP-1.34
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 5-1.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]sulfonylbutanoic acid
CID 66054216
5-[(dimethylamino)methyl]-1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-ol
CID 79593792
5-[(dimethylamino)methyl]-1-(2,2-dimethylpropylsulfonyl)pyrrolidin-3-ol
CID 66052398
1-(cyclopropylmethylsulfonyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66052985
5-[(dimethylamino)methyl]-1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-3-ol
CID 66054078
1-(4-chlorophenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66053365
5-[(dimethylamino)methyl]-1-(3,5-dimethylphenyl)sulfonylpyrrolidin-3-ol
CID 66053371
5-[(dimethylamino)methyl]-1-(2-methylpiperidin-1-yl)sulfonylpyrrolidin-3-ol
CID 66053947
1-(2-aminopyrimidin-5-yl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66051432
7-amino-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]heptan-1-one
CID 66055629
5-[(dimethylamino)methyl]-1-(1,1-dioxothian-4-yl)sulfonylpyrrolidin-3-ol
CID 66052984
1-[3-(aminomethyl)phenyl]sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66056012

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropylsulfonyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-(3-aminopropylsulfonyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol (CID 66054631) is 1-(3-aminopropylsulfonyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-(3-aminopropylsulfonyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-(3-aminopropylsulfonyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol is CN(C)CC1CC(O)CN1S(=O)(=O)CCCN.
What is the InChIKey of 1-(3-aminopropylsulfonyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The InChIKey is IKYMYVGQXVHDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O3S/c1-12(2)7-9-6-10(14)8-13(9)17(15,16)5-3-4-11/h9-10,14H,3-8,11H2,1-2H3.
What are the key properties of 1-(3-aminopropylsulfonyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
1-(3-aminopropylsulfonyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol has a molecular weight of 265.38 g/mol, XLogP of -1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropylsulfonyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 66054631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).