(2S)-2-amino-3-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)butanamide

C14H26N2O2S — CID 61163740

IUPAC(2S)-2-amino-3-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)butanamide
SMILESCC(C)[C@H](N)C(=O)N(CC1CCCO1)C1CCSC1
InChIInChI=1S/C14H26N2O2S/c1-10(2)13(15)14(17)16(11-5-7-19-9-11)8-12-4-3-6-18-12/h10-13H,3-9,15H2,1-2H3/t11?,12?,13-/m0/s1
InChIKeyVTJDUSPLVIHCDQ-BPCQOVAHSA-N
MW286.44 g/mol
LogP1.48
Rot. Bonds5

About (2S)-2-amino-3-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)butanamide

(2S)-2-amino-3-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)butanamide (PubChem CID 61163740) has the molecular formula C14H26N2O2S and a molecular weight of 286.44 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)butanamide
PubChem CID61163740
Molecular FormulaC14H26N2O2S
Molecular Weight286.44 g/mol
Exact Mass286.17
IUPAC Name(2S)-2-amino-3-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)butanamide
SMILESCC(C)[C@H](N)C(=O)N(CC1CCCO1)C1CCSC1
InChIInChI=1S/C14H26N2O2S/c1-10(2)13(15)14(17)16(11-5-7-19-9-11)8-12-4-3-6-18-12/h10-13H,3-9,15H2,1-2H3/t11?,12?,13-/m0/s1
InChIKeyVTJDUSPLVIHCDQ-BPCQOVAHSA-N
XLogP1.48
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)propanamide
CID 62638054
2-amino-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)acetamide
CID 60944233
3-(ethylamino)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)butanamide
CID 62838859
(2R)-2-amino-N-(2-methoxyethyl)-3-methyl-N-(thiolan-3-yl)butanamide
CID 79013230
3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]-1H-pyrrole-2-carboxamide
CID 97067533
N-[[(2S)-oxolan-2-yl]methyl]-3-propan-2-yl-N-[(3R)-thiolan-3-yl]-1,2-oxazole-5-carboxamide
CID 95376670
4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3S)-thiolan-3-yl]thiophene-3-carboxamide
CID 97008483
N-(oxolan-2-ylmethyl)-2-piperidin-4-yl-N-(thiolan-3-yl)acetamide
CID 61029247
5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]pyridine-3-carboxamide
CID 96562097
5-chloro-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80625955
5-bromo-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)furan-2-carboxamide
CID 55613442
N-[[(2R)-oxolan-2-yl]methyl]-3-phenyl-N-[(3R)-thiolan-3-yl]prop-2-ynamide
CID 96569970

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)butanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)butanamide (CID 61163740) is (2S)-2-amino-3-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)butanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)butanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)butanamide is CC(C)[C@H](N)C(=O)N(CC1CCCO1)C1CCSC1.
What is the InChIKey of (2S)-2-amino-3-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)butanamide?
The InChIKey is VTJDUSPLVIHCDQ-BPCQOVAHSA-N. The full InChI is InChI=1S/C14H26N2O2S/c1-10(2)13(15)14(17)16(11-5-7-19-9-11)8-12-4-3-6-18-12/h10-13H,3-9,15H2,1-2H3/t11?,12?,13-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)butanamide?
(2S)-2-amino-3-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)butanamide has a molecular weight of 286.44 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)butanamide is sourced from PubChem (CID 61163740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).