6-tert-butylsulfonyl-N-(2-pentan-3-yloxan-4-yl)pyridin-3-amine

C19H32N2O3S — CID 133461855

IUPAC6-tert-butylsulfonyl-N-(2-pentan-3-yloxan-4-yl)pyridin-3-amine
SMILESCCC(CC)C1CC(Nc2ccc(S(=O)(=O)C(C)(C)C)nc2)CCO1
InChIInChI=1S/C19H32N2O3S/c1-6-14(7-2)17-12-15(10-11-24-17)21-16-8-9-18(20-13-16)25(22,23)19(3,4)5/h8-9,13-15,17,21H,6-7,10-12H2,1-5H3
InChIKeyCIHCVVHGMKWXLC-UHFFFAOYSA-N
MW368.54 g/mol
LogP4.05
Rot. Bonds6

About 6-tert-butylsulfonyl-N-(2-pentan-3-yloxan-4-yl)pyridin-3-amine

6-tert-butylsulfonyl-N-(2-pentan-3-yloxan-4-yl)pyridin-3-amine (PubChem CID 133461855) has the molecular formula C19H32N2O3S and a molecular weight of 368.54 g/mol. Its IUPAC name is 6-tert-butylsulfonyl-N-(2-pentan-3-yloxan-4-yl)pyridin-3-amine.

Molecular Properties

Compound Name6-tert-butylsulfonyl-N-(2-pentan-3-yloxan-4-yl)pyridin-3-amine
PubChem CID133461855
Molecular FormulaC19H32N2O3S
Molecular Weight368.54 g/mol
Exact Mass368.21
IUPAC Name6-tert-butylsulfonyl-N-(2-pentan-3-yloxan-4-yl)pyridin-3-amine
SMILESCCC(CC)C1CC(Nc2ccc(S(=O)(=O)C(C)(C)C)nc2)CCO1
InChIInChI=1S/C19H32N2O3S/c1-6-14(7-2)17-12-15(10-11-24-17)21-16-8-9-18(20-13-16)25(22,23)19(3,4)5/h8-9,13-15,17,21H,6-7,10-12H2,1-5H3
InChIKeyCIHCVVHGMKWXLC-UHFFFAOYSA-N
XLogP4.05
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.54
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(difluoromethylsulfonyl)phenyl]-2-pentan-3-yloxan-4-amine
CID 133441630
5-methyl-N-(2-pentan-3-yloxan-4-yl)pyrimidin-2-amine
CID 133461839
2-[(2-pentan-3-yloxan-4-yl)amino]pyridine-3-sulfonamide
CID 133440405
5-bromo-N-(2-pentan-3-yloxan-4-yl)pyrimidin-2-amine
CID 133440380
5-bromo-N-(2-pentan-3-yloxan-4-yl)pyridin-2-amine
CID 133440407
6-tert-butylsulfonyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyridin-3-amine
CID 133360515
2-[4-[(6-tert-butylsulfonyl-3-pyridinyl)amino]piperidin-1-yl]-N-methylacetamide
CID 133373776
N-(2-pentan-3-yloxan-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 133440410
1-tert-butyl-N-(2-pentan-3-yloxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 133440412
N-(2-pentan-3-yloxan-4-yl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133440386
1-ethyl-3-[(2-pentan-3-yloxan-4-yl)amino]pyrazin-2-one
CID 133439346
4-methoxy-N-(2-pentan-3-yloxan-4-yl)pyrimidin-2-amine
CID 133440360

Frequently Asked Questions

What is the IUPAC name of 6-tert-butylsulfonyl-N-(2-pentan-3-yloxan-4-yl)pyridin-3-amine?
The IUPAC name of 6-tert-butylsulfonyl-N-(2-pentan-3-yloxan-4-yl)pyridin-3-amine (CID 133461855) is 6-tert-butylsulfonyl-N-(2-pentan-3-yloxan-4-yl)pyridin-3-amine.
What is the SMILES notation for 6-tert-butylsulfonyl-N-(2-pentan-3-yloxan-4-yl)pyridin-3-amine?
The canonical SMILES for 6-tert-butylsulfonyl-N-(2-pentan-3-yloxan-4-yl)pyridin-3-amine is CCC(CC)C1CC(Nc2ccc(S(=O)(=O)C(C)(C)C)nc2)CCO1.
What is the InChIKey of 6-tert-butylsulfonyl-N-(2-pentan-3-yloxan-4-yl)pyridin-3-amine?
The InChIKey is CIHCVVHGMKWXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O3S/c1-6-14(7-2)17-12-15(10-11-24-17)21-16-8-9-18(20-13-16)25(22,23)19(3,4)5/h8-9,13-15,17,21H,6-7,10-12H2,1-5H3.
What are the key properties of 6-tert-butylsulfonyl-N-(2-pentan-3-yloxan-4-yl)pyridin-3-amine?
6-tert-butylsulfonyl-N-(2-pentan-3-yloxan-4-yl)pyridin-3-amine has a molecular weight of 368.54 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylsulfonyl-N-(2-pentan-3-yloxan-4-yl)pyridin-3-amine is sourced from PubChem (CID 133461855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).