1-[1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine

C14H29N3O3S — CID 80553283

IUPAC1-[1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine
SMILESCC(C)OCCS(=O)(=O)N1CCC(N2CCC(N)CC2)C1
InChIInChI=1S/C14H29N3O3S/c1-12(2)20-9-10-21(18,19)17-8-5-14(11-17)16-6-3-13(15)4-7-16/h12-14H,3-11,15H2,1-2H3
InChIKeyAOUHHLZNWMKVRD-UHFFFAOYSA-N
MW319.47 g/mol
LogP0.24
Rot. Bonds6

About 1-[1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine

1-[1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine (PubChem CID 80553283) has the molecular formula C14H29N3O3S and a molecular weight of 319.47 g/mol. Its IUPAC name is 1-[1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine
PubChem CID80553283
Molecular FormulaC14H29N3O3S
Molecular Weight319.47 g/mol
Exact Mass319.19
IUPAC Name1-[1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine
SMILESCC(C)OCCS(=O)(=O)N1CCC(N2CCC(N)CC2)C1
InChIInChI=1S/C14H29N3O3S/c1-12(2)20-9-10-21(18,19)17-8-5-14(11-17)16-6-3-13(15)4-7-16/h12-14H,3-11,15H2,1-2H3
InChIKeyAOUHHLZNWMKVRD-UHFFFAOYSA-N
XLogP0.24
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(2-methoxyethylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine
CID 80553835
1-[1-(2-methylpropylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine
CID 80553988
[1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-yl]methanamine
CID 79594313
3-methyl-1-(2-propan-2-yloxyethylsulfonyl)piperazine
CID 79594491
4-(1-chloroethyl)-1-(2-propan-2-yloxyethylsulfonyl)piperidine
CID 106839507
8-(2-propan-2-yloxyethylsulfonyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 79594229
1-(3-methylbutylsulfonyl)piperidin-4-amine
CID 63834728
1-methyl-4-(2-propan-2-yloxyethylsulfonyl)piperazine
CID 79229270
N-[[1-(2-propan-2-yloxyethylsulfonyl)piperidin-4-yl]methyl]cyclopropanamine
CID 79600882
2-[1-(2-propan-2-yloxyethylsulfonyl)piperidin-3-yl]acetic acid
CID 79594109
1-(2-propan-2-yloxyethylsulfonyl)azepane
CID 79229911
1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)piperidin-4-amine
CID 80553921

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine?
The IUPAC name of 1-[1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine (CID 80553283) is 1-[1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine.
What is the SMILES notation for 1-[1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine?
The canonical SMILES for 1-[1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine is CC(C)OCCS(=O)(=O)N1CCC(N2CCC(N)CC2)C1.
What is the InChIKey of 1-[1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine?
The InChIKey is AOUHHLZNWMKVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3S/c1-12(2)20-9-10-21(18,19)17-8-5-14(11-17)16-6-3-13(15)4-7-16/h12-14H,3-11,15H2,1-2H3.
What are the key properties of 1-[1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine?
1-[1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine has a molecular weight of 319.47 g/mol, XLogP of 0.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine is sourced from PubChem (CID 80553283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).