N-[(2S)-2-(5-fluoropyrimidin-2-yl)propyl]propane-2-sulfinamide

C10H16FN3OS — CID 66623762

IUPACN-[(2S)-2-(5-fluoropyrimidin-2-yl)propyl]propane-2-sulfinamide
SMILESCC(C)S(=O)NC[C@H](C)c1ncc(F)cn1
InChIInChI=1S/C10H16FN3OS/c1-7(2)16(15)14-4-8(3)10-12-5-9(11)6-13-10/h5-8,14H,4H2,1-3H3/t8-,16?/m0/s1
InChIKeyBWHJJSCSRPNEIY-UOCSPZAXSA-N
MW245.32 g/mol
LogP1.38
Rot. Bonds5

About N-[(2S)-2-(5-fluoropyrimidin-2-yl)propyl]propane-2-sulfinamide

N-[(2S)-2-(5-fluoropyrimidin-2-yl)propyl]propane-2-sulfinamide (PubChem CID 66623762) has the molecular formula C10H16FN3OS and a molecular weight of 245.32 g/mol. Its IUPAC name is N-[(2S)-2-(5-fluoropyrimidin-2-yl)propyl]propane-2-sulfinamide.

Molecular Properties

Compound NameN-[(2S)-2-(5-fluoropyrimidin-2-yl)propyl]propane-2-sulfinamide
PubChem CID66623762
Molecular FormulaC10H16FN3OS
Molecular Weight245.32 g/mol
Exact Mass245.10
IUPAC NameN-[(2S)-2-(5-fluoropyrimidin-2-yl)propyl]propane-2-sulfinamide
SMILESCC(C)S(=O)NC[C@H](C)c1ncc(F)cn1
InChIInChI=1S/C10H16FN3OS/c1-7(2)16(15)14-4-8(3)10-12-5-9(11)6-13-10/h5-8,14H,4H2,1-3H3/t8-,16?/m0/s1
InChIKeyBWHJJSCSRPNEIY-UOCSPZAXSA-N
XLogP1.38
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(5-fluoropyrimidin-2-yl)propyl]propane-2-sulfinamide?
The IUPAC name of N-[(2S)-2-(5-fluoropyrimidin-2-yl)propyl]propane-2-sulfinamide (CID 66623762) is N-[(2S)-2-(5-fluoropyrimidin-2-yl)propyl]propane-2-sulfinamide.
What is the SMILES notation for N-[(2S)-2-(5-fluoropyrimidin-2-yl)propyl]propane-2-sulfinamide?
The canonical SMILES for N-[(2S)-2-(5-fluoropyrimidin-2-yl)propyl]propane-2-sulfinamide is CC(C)S(=O)NC[C@H](C)c1ncc(F)cn1.
What is the InChIKey of N-[(2S)-2-(5-fluoropyrimidin-2-yl)propyl]propane-2-sulfinamide?
The InChIKey is BWHJJSCSRPNEIY-UOCSPZAXSA-N. The full InChI is InChI=1S/C10H16FN3OS/c1-7(2)16(15)14-4-8(3)10-12-5-9(11)6-13-10/h5-8,14H,4H2,1-3H3/t8-,16?/m0/s1.
What are the key properties of N-[(2S)-2-(5-fluoropyrimidin-2-yl)propyl]propane-2-sulfinamide?
N-[(2S)-2-(5-fluoropyrimidin-2-yl)propyl]propane-2-sulfinamide has a molecular weight of 245.32 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(5-fluoropyrimidin-2-yl)propyl]propane-2-sulfinamide is sourced from PubChem (CID 66623762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).